SCHEMBL31075813

SCHEMBL31075813

CCOC(=O)Cc1cc(F)c(C(C)C)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.37
MAPT P10636 8/20 0.37
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
NLRP3 Q96P20 3/20 0.36
RAB9A P51151 5/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HSD17B10 Q99714 5/20 0.35
NPC1 O15118 5/20 0.35
TSHR P16473 4/20 0.35
MEN1 O00255 2/20 0.35
CASP1 P29466 2/20 0.35
RXFP1 Q9HBX9 2/20 0.34
CASP7 P55210 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4274661 0.79 KDM4E (0.43) KDM4EPOLBCYP2C9MAPTALDH1A1
SCHEMBL25248214 0.76 MAPT (0.43) KDM4EPOLBCYP2C9MAPTALDH1A1
SCHEMBL4551498 0.75 GLA (0.44) KDM4ECYP2C9MAPTALDH1A1SMN1; SMN2
SCHEMBL8895875 0.73 KDM4E (0.35) KDM4EPOLBCYP2C9MAPTALDH1A1
SCHEMBL26137720 0.73 DPP4 (0.32)
SCHEMBL23850649 0.71 MEN1 (0.41) POLBCYP2C9MAPTALDH1A1HPGD
SCHEMBL30620176 0.71 KMT2A (0.43) POLBSMN1; SMN2HPGDKMT2ATDP1
SCHEMBL15490071 0.71 KMT2A (0.43) POLBSMN1; SMN2HPGDKMT2ATDP1
SCHEMBL12985044 0.70 MAPT (0.42) KDM4ECYP2C9MAPTALDH1A1SMN1; SMN2
SCHEMBL5357828 0.70 DAO (0.43) KDM4ECYP2C9MAPTALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665458-A1 INHIBITING ALPHA V BETA8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
WO-2024173572-A1 INHIBITING α vβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed